(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane

C22H35NOSi — CID 11325787

IUPAC(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(c1ccccc1)N1CCOCC1)(C(C)C)C(C)C
InChIInChI=1S/C22H35NOSi/c1-18(2)25(19(3)4,20(5)6)17-12-22(21-10-8-7-9-11-21)23-13-15-24-16-14-23/h7-11,18-20,22H,13-16H2,1-6H3
InChIKeyNIQOYQODAQUYHO-UHFFFAOYSA-N
MW357.61 g/mol
LogP5.28
Rot. Bonds5

About (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane

(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane (PubChem CID 11325787) has the molecular formula C22H35NOSi and a molecular weight of 357.61 g/mol. Its IUPAC name is (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
PubChem CID11325787
Molecular FormulaC22H35NOSi
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Name(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(c1ccccc1)N1CCOCC1)(C(C)C)C(C)C
InChIInChI=1S/C22H35NOSi/c1-18(2)25(19(3)4,20(5)6)17-12-22(21-10-8-7-9-11-21)23-13-15-24-16-14-23/h7-11,18-20,22H,13-16H2,1-6H3
InChIKeyNIQOYQODAQUYHO-UHFFFAOYSA-N
XLogP5.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
CID 177392713
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
triethoxy-(2-morpholin-4-yl-2-phenylethyl)silane
CID 68744744
N-(2-methyl-1-phenylpropyl)morpholin-4-amine
CID 83011282
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol
CID 101454375
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
N-methyl-N-[morpholin-4-yl(phenyl)methyl]aniline
CID 91471517

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane?
The IUPAC name of (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane (CID 11325787) is (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane?
The canonical SMILES for (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane is CC(C)[Si](C#CC(c1ccccc1)N1CCOCC1)(C(C)C)C(C)C.
What is the InChIKey of (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane?
The InChIKey is NIQOYQODAQUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NOSi/c1-18(2)25(19(3)4,20(5)6)17-12-22(21-10-8-7-9-11-21)23-13-15-24-16-14-23/h7-11,18-20,22H,13-16H2,1-6H3.
What are the key properties of (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane?
(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane has a molecular weight of 357.61 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane is sourced from PubChem (CID 11325787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).